Found 1 result

Search term: KLFKZIQAIPDJCW-GPOMZPHUSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (2S,8R)-2-Ammonio-5-oxido-11-oxo-8-(palmitoyloxy)-4,6,10-trioxa-5-phosphahexacosan-1-oate 5-oxide | C38H73NO10P

(2S,8R)-2-Ammonio-5-oxido-11-oxo-8-(palmitoyloxy)-4,6,10-trioxa-5-phosphahexacosan-1-oate 5-oxide

  • Molecular FormulaC38H73NO10P
  • Average mass734.961 Da
  • Monoisotopic mass734.497742 Da
  • ChemSpider ID58167450
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,8R) 5-Oxyde de 2-ammonio-11-oxo-5-oxydo-8-(palmitoyloxy)-4,6,10-trioxa-5-phosphahexacosan-1-oate [French] [ACD/IUPAC Name]
(2S,8R)-2-Ammonio-5-oxido-11-oxo-8-(palmitoyloxy)-4,6,10-trioxa-5-phosphahexacosan-1-oat-5-oxid [German] [ACD/IUPAC Name]
(2S,8R)-2-Ammonio-5-oxido-11-oxo-8-(palmitoyloxy)-4,6,10-trioxa-5-phosphahexacosan-1-oate 5-oxide [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, inner salt, ion(1-) [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1,2-dihexadecanoyl-sn-glycero-3-phospho-L-serine; major species at pH ; 7.3. ChEBI CHEBI:111515

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 782.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 427.1±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.01
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 271886.53
ACD/KOC (pH 5.5): 27322.75
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 213062.47
ACD/KOC (pH 7.4): 21411.33
Polar Surface Area: 189 Å2
Surface Tension:
Molar Volume:

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